3-cyclopentyl-1-{4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
3-cyclopentyl-1-{4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}propan-1-one
3-cyclopentyl-1-{4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | T404-1197 |
| Compound Name: | 3-cyclopentyl-1-{4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C20 H26 F3 N5 O |
| Smiles: | C1CCC(C1)CCC(N1CCCN(CC1)c1nnc2ccc(cn12)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3382 |
| logD: | 3.3382 |
| logSw: | -3.4723 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.553 |
| InChI Key: | KIGNEFZTSPHBCL-UHFFFAOYSA-N |